I have a fairly complex spin-simulation problem, and before I try
to attack it with my totally outdated version of LAOCN-5, I wanted
to ask if there's any interactive, graphics-oriented software out
there which can work directly with spectral data to simulate
complex spin systems.
Actually, I long for the days of my old 1280-based NT-360, which
had a really nice spin-simulation package which used cursors to
set the peaks in the simulated spectrum, and one could visually
adjust the parameters to get a good fit. It would even display
a difference spectrum, which was a great way to tweak-out the
parameters in the simulated spectrum!
I know I could post this to sci.techniques.mag-res (sorry guys),
but I wanted to make sure it went to the people who know what's
going on!! (I, personally, rarely get time to check net-news).
If anyone has a software package that they use, know, and love,
I'd be happy to hear about it!
Thanks in advance,
Rich Shoemaker
Univ. of Nebraska